2,2,3,3,4,4,4-heptafluorobutan-1-ol

C4H3F7O — CID 9776

IUPAC2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKeyWXJFKAZDSQLPBX-UHFFFAOYSA-N
MW200.05 g/mol
LogP1.81
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluorobutan-1-ol

2,2,3,3,4,4,4-heptafluorobutan-1-ol (PubChem CID 9776) has the molecular formula C4H3F7O and a molecular weight of 200.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutan-1-ol
PubChem CID9776
Molecular FormulaC4H3F7O
Molecular Weight200.05 g/mol
Exact Mass200.01
IUPAC Name2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKeyWXJFKAZDSQLPBX-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutan-1-ol (CID 9776) is 2,2,3,3,4,4,4-heptafluorobutan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The InChIKey is WXJFKAZDSQLPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutan-1-ol?
2,2,3,3,4,4,4-heptafluorobutan-1-ol has a molecular weight of 200.05 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutan-1-ol is sourced from PubChem (CID 9776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).